Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C15H18OS2/c1-2-13(16)8-9-14(15-17-10-11-18-15)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
SMILES CCC(=O)CCC(=C1SCCS1)c1ccccc1
InChI Key MQHLDGLJNBYOQQ-UHFFFAOYSA-N
Molecular Formula C15H18OS2
Exact Mass 278.433 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MQHLDGLJNBYOQQ-UHFFFAOYSA-N/13CNMR
License URL
Source https://www.chemotion-repository.net/inchikey/MQHLDGLJNBYOQQ-UHFFFAOYSA-N/13CNMR
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:22:02.807531
MetadataModified 2024-09-07T14:17:01.338256
MetadataPublished 2018-04-28
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
133053732 PubChem
The data in this table is sourced from UniChem at EBI.